Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.65 |
| ▸ | BCHE | P06276 | 2/20 | 0.62 |
| ▸ | DRD2 | P14416 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11883482 | 0.91 | SIGMAR1 (0.84) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL19245652 | 0.89 | GAA (0.74) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL27071533 | 0.89 | GAA (0.74) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL9375124 | 0.89 | SIGMAR1 (0.73) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL4065566 | 0.89 | SIGMAR1 (0.88) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL9973111 | 0.87 | MEN1 (0.74) | SIGMAR1CHRM2DRD4MAOAGAA | |
| Bromide SCHEMBL11691228 | 0.87 | SIGMAR1 (0.84) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL9973186 | 0.86 | SIGMAR1 (0.75) | SIGMAR1DRD2DRD4DRD3 | |
| SCHEMBL8092833 | 0.84 | SIGMAR1 (0.72) | SIGMAR1CHRM2BCHEMAOAGAA | |
| SCHEMBL6014422 | 0.83 | SIGMAR1 (1.00) | SIGMAR1CHRM2BCHEMAOAGAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0507863-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | — | 1993-07-07 | — | — | EP | disclosed |
| EP-0507863-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1992-10-14 | — | — | EP | disclosed |